4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole

C13H7Br2NS2 — CID 79838979

IUPAC4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
SMILESBrc1cccc(-c2csc(-c3ccc(Br)s3)n2)c1
InChIInChI=1S/C13H7Br2NS2/c14-9-3-1-2-8(6-9)10-7-17-13(16-10)11-4-5-12(15)18-11/h1-7H
InChIKeyOYJPYSMKOJORHE-UHFFFAOYSA-N
MW401.15 g/mol
LogP6.06
Rot. Bonds2

About 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole

4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole (PubChem CID 79838979) has the molecular formula C13H7Br2NS2 and a molecular weight of 401.15 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
PubChem CID79838979
Molecular FormulaC13H7Br2NS2
Molecular Weight401.15 g/mol
Exact Mass398.84
IUPAC Name4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
SMILESBrc1cccc(-c2csc(-c3ccc(Br)s3)n2)c1
InChIInChI=1S/C13H7Br2NS2/c14-9-3-1-2-8(6-9)10-7-17-13(16-10)11-4-5-12(15)18-11/h1-7H
InChIKeyOYJPYSMKOJORHE-UHFFFAOYSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.15
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(3-bromophenyl)-2-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 51045264
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 46246000
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide
CID 137032183
3-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 63540780
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532
2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 78907588
4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole
CID 113453495
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
CID 91360116

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole (CID 79838979) is 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole is Brc1cccc(-c2csc(-c3ccc(Br)s3)n2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole?
The InChIKey is OYJPYSMKOJORHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2NS2/c14-9-3-1-2-8(6-9)10-7-17-13(16-10)11-4-5-12(15)18-11/h1-7H.
What are the key properties of 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole?
4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole has a molecular weight of 401.15 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 79838979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).